REMARK  Name = BDB006968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.793  -1.778   1.359  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.512  -1.747   0.890  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.040  -2.590  -0.109  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.389  -2.302  -0.338  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        3.120  -2.995  -1.298  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.478  -3.989  -2.037  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        1.122  -4.280  -1.812  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        2.890  -1.192   0.572  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.883  -1.811   1.577  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        0.396  -3.576  -0.842  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        1.575  -0.820   1.326  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -1.612  -2.647   1.045  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        3.431   0.013  -0.209  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        2.639   0.619  -1.207  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.094   1.727  -1.925  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.355   2.254  -1.668  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.158   1.671  -0.693  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.702   0.563   0.030  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1        0.478  -5.303  -2.585  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1       -0.023  -6.138  -3.217  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.222  -0.643   2.312  0.00  0.00    +0.181 C 
BRANCH  21  28
ATOM     22  C   LIG    1       -4.692   2.789   3.220  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.063   1.915   2.133  0.00  0.00    +0.065 C 
ATOM     24  N   LIG    1       -3.600   2.758   1.013  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -3.662   3.748   1.248  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.225   2.435   0.616  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -1.933   0.909   0.506  0.00  0.00    +0.092 C 
ATOM     28  N   LIG    1       -2.326   0.149   1.729  0.00  0.00    -0.287 NA
ATOM     29  C   LIG    1       -2.968   0.997   2.745  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.659   0.287  -0.706  0.00  0.00    +0.163 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.245   0.855  -1.978  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1       -0.945   0.826  -2.344  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -0.948   1.385  -3.557  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -2.232   1.791  -3.959  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -3.052   1.438  -2.914  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 6